| SpectraBase Compound ID | 7KCmb0mPbLc |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-7(2)9(6-10)5-4-8(3)11/h6-7,9H,4-5H2,1-3H3 |
| InChIKey | JUZXYQBZHRMZNQ-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8m9YkrZoy0d |
|---|---|
| Name | 2-Isopropyl-5-oxohexanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-7(2)9(6-10)5-4-8(3)11/h6-7,9H,4-5H2,1-3H3 |
| InChIKey | JUZXYQBZHRMZNQ-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(=O)(C)CCC(C=O)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.977961 |